(Q34575180)

3 August 2017

title

Efficient overlay of small organic molecules using 3D pharmacophores (English)

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3 August 2017

3

Thierry Langer

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Gerhard Wolber

object named as

Gerhard Wolber

series ordinal

1

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author name string

Alois A Dornhofer

series ordinal

2

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3 August 2017

publication date

19 October 2006

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Journal of Computer - Aided Molecular Design

3 August 2017

published in

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3 August 2017

volume

20

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3 August 2017

issue

12

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3 August 2017

page(s)

773-788

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Identification of common functional configurations among molecules

3 August 2017

cites work

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12 December 2020

The Protein Data Bank

1 reference

12 December 2020

Small molecule shape-fingerprints

1 reference

12 December 2020

Computational methods for the structural alignment of molecules

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12 December 2020

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

1 reference

12 December 2020

Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening

1 reference

12 December 2020

LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

1 reference

12 December 2020

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

1 reference

12 December 2020

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

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12 December 2020

Chemical feature-based pharmacophores and virtual library screening for discovery of new leads.

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12 December 2020

Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors

1 reference

12 December 2020

Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.

1 reference

12 December 2020

Virtual screening: an effective tool for lead structure discovery?

1 reference

12 December 2020

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

1 reference

12 December 2020

Development and Validation of an In Silico P450 Profiler Based on Pharmacophore Models

1 reference

12 December 2020

Human rhinovirus 3C protease: generation of pharmacophore models for peptidic and nonpeptidic inhibitors and their application in virtual screening.

1 reference

12 December 2020

Alignment of three-dimensional molecules using an image recognition algorithm

1 reference

12 December 2020

Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools

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12 December 2020

Recent advances in comparative molecular field analysis (CoMFA)

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12 December 2020

Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method

1 reference

12 December 2020

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

1 reference

12 December 2020

10.1007/S10822-006-9078-7

Identifiers

DOI

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journals/jcamd/WolberDL06

3 August 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

28 January 2021

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